Geometry & MOs

Info

ID:	120850
PubChem CID:	50746924
Reduced:	ClN3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	344.153621
ΔH_f, kcal/mol:	-27.54
Dipole, Da:	0.94
IP(EA), eV:	-9.54(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C2=CC=C(C=C2)OCC(=O)NCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations